N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol

C₁₁H₂₃NO₃CAS 106946-74-1217.31 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₂₃NO₃
Molar mass: 217.31 g/mol
Exact mass: 217.1678 Da
logP: 1.92Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: S, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

106946-74-1

SMILES

CC[C@H](C)[C@@H](CO)NC(=O)OC(C)(C)C

InChIKey

BPLDQMXXYMKQPW-DTWKUNHWSA-N

InChI

InChI=1S/C11H23NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9+/m0/s1

Weigh it out

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Work with N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-371 % similar Boc-D-valinol106391-87-169 % similar Boc-D-isoleucine55721-65-861 % similar N-Boc-L-cyclohexylglycinol107202-39-160 % similar N-Boc-D-cyclohexylglycinol188348-00-760 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-855 % similar tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-053 % similar Boc-L-beta-homovaline183990-64-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-D-leucinol106930-51-2 tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-1 Boc-L-leucinol82010-31-9

Elsewhere

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